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Bis-sulfone-PEG4-NHS Ester

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Category	Bis-sulfone-PEGn-NHS Ester
Catalog NO.	BPG-3374
Product Name	Bis-sulfone-PEG4-NHS Ester
CAS	2055047-19-1
Molecular Formula	C40H48N2O14S2
Molecular Weight	844.94

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Description	Bis-sulfone-PEG4-NHS Ester is a bis-alkylating labeling reagent that is selective for the cysteine sulfur atoms from a native disulfide. The hydrophilic PEG spacer increases solubility in aqueous media.
Synonyms	4,7,10,13-Tetraoxa-16-azaheptadecanoic acid, 17-[4-[3-[(4-methylphenyl)sulfonyl]-2-[[(4-methylphenyl)sulfonyl]methyl]-1-oxopropyl]phenyl]-17-oxo-, 2,5-dioxo-1-pyrrolidinyl ester; N-{15-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-15-oxo-3,6,9,12-tetraoxapentadec-1-yl}-4-(3-[(4-methylphenyl)sulfonyl]-2-{[(4-methylphenyl)sulfonyl]methyl}propanoyl)benzamide; Benzamide, N-[15-[(2,5-dioxo-1-pyrrolidinyl)oxy]-15-oxo-3,6,9,12-tetraoxapentadec-1-yl]-4-[3-[(4-methylphenyl)sulfonyl]-2-[[(4-methylphenyl)sulfonyl]methyl]-1-oxopropyl]-
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES	CC1=CC=C(C=C1)S(=O)(=O)CC(CS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C(=O)NCCOCCOCCOCCOCCC(=O)ON4C(=O)CCC4=O
InChI	InChI=1S/C40H48N2O14S2/c1-29-3-11-34(12-4-29)57(48,49)27-33(28-58(50,51)35-13-5-30(2)6-14-35)39(46)31-7-9-32(10-8-31)40(47)41-18-20-53-22-24-55-26-25-54-23-21-52-19-17-38(45)56-42-36(43)15-16-37(42)44/h3-14,33H,15-28H2,1-2H3,(H,41,47)
InChIKey	VCYROJRQWRDNJR-UHFFFAOYSA-N
Purity	≥95%
Density	1.38±0.1 g/cm3 (Predicted)
Solubility	Soluble in DCM, DMF, DMSO
Storage	Store at -20°C

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